2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide

C17H19FN4O2 — CID 110256233

IUPAC2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2nccnc2Oc2cccc(F)c2)C1
InChIInChI=1S/C17H19FN4O2/c18-13-4-1-5-14(9-13)24-17-16(20-6-7-21-17)12-3-2-8-22(10-12)11-15(19)23/h1,4-7,9,12H,2-3,8,10-11H2,(H2,19,23)
InChIKeyILMNLMFRXXXLQR-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.07
Rot. Bonds5

About 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide

2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide (PubChem CID 110256233) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
PubChem CID110256233
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2nccnc2Oc2cccc(F)c2)C1
InChIInChI=1S/C17H19FN4O2/c18-13-4-1-5-14(9-13)24-17-16(20-6-7-21-17)12-3-2-8-22(10-12)11-15(19)23/h1,4-7,9,12H,2-3,8,10-11H2,(H2,19,23)
InChIKeyILMNLMFRXXXLQR-UHFFFAOYSA-N
XLogP2.07
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide (CID 110256233) is 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(c2nccnc2Oc2cccc(F)c2)C1.
What is the InChIKey of 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
The InChIKey is ILMNLMFRXXXLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-4-1-5-14(9-13)24-17-16(20-6-7-21-17)12-3-2-8-22(10-12)11-15(19)23/h1,4-7,9,12H,2-3,8,10-11H2,(H2,19,23).
What are the key properties of 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide has a molecular weight of 330.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110256233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).